4-methylsulfanyl-1-prop-2-enyl-pyridin-1-ium bromide

Systemtic Name: 4-methylsulfanyl-1-prop-2-enyl-pyridin-1-ium bromide Openeye Name: 1-allyl-4-methylsulfanyl-pyridin-1-ium bromide CAS Name: 4-(methylthio)-1-prop-2-enylpyridin-1-ium bromide IUPAC Name: 4-methylsulfanyl-1-prop-2-enylpyridin-1-ium bromide Traditional Name: 1-allyl-4-(methylthio)pyridin-1-ium bromide Formula: C9H12BrNS MolecularWeight: 246.16728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=[N+](C=C1)CC=C.[Br-]

Isomeric SMILES

CSC1=CC=[N+](C=C1)CC=C.[Br-]

InChI

InChI=1S/C9H12NS.BrH/c1-3-6-10-7-4-9(11-2)5-8-10;/h3-5,7-8H,1,6H2,2H3;1H/q+1;/p-1